44511499 -OEChem-02231813083D 59 62 0 1 0 0 0 0 0999 V2000 -0.2372 2.2717 -8.0116 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1672 1.8968 -9.9534 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 1.5208 -9.7030 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8601 -1.5876 -3.6541 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5745 0.9547 8.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5659 0.5398 5.7107 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5405 0.1166 -8.7152 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0258 -0.4880 0.2879 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 0.1392 9.7568 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4217 2.3932 10.0134 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -0.8789 -2.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4172 -0.2681 -1.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5308 -1.8318 -1.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8796 0.4267 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 -1.1400 -0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1236 -0.2300 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2913 -0.3088 7.9468 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3775 -0.0661 6.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3908 0.0142 2.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 -0.2161 2.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6514 -0.9668 8.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5937 -1.0831 7.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -1.1646 -4.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.2869 4.3812 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5395 0.2727 3.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8463 0.0425 3.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4004 1.1388 9.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8254 -1.1762 -5.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4965 -0.7223 -5.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1793 -0.7456 -6.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1427 -0.2918 -7.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1952 -0.3035 -7.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2281 1.4546 -9.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 -0.0611 -2.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 -1.0534 -1.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9876 0.4427 -2.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0909 -2.6904 -1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 -2.2489 -2.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7348 0.7831 0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2952 1.3109 -0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -0.3971 -0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5538 -1.9013 0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7225 -1.0339 6.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2317 0.6134 6.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1319 -1.6665 9.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4653 -1.5144 8.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2817 0.0267 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9895 -0.4130 2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4244 -2.0569 7.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0729 -1.2495 8.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3237 -0.5251 7.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5284 0.4655 3.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 0.0689 4.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 -1.5263 -4.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -0.7120 -5.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2229 -0.7586 -6.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9201 0.0438 -7.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2415 3.1015 9.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 2.6564 10.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 33 1 0 0 0 0 3 33 1 0 0 0 0 4 11 1 0 0 0 0 4 23 1 0 0 0 0 5 17 1 0 0 0 0 5 27 1 0 0 0 0 6 18 1 0 0 0 0 6 24 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 21 1 0 0 0 0 9 27 2 0 0 0 0 10 27 1 0 0 0 0 10 58 1 0 0 0 0 10 59 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 25 1 0 0 0 0 19 47 1 0 0 0 0 20 26 2 0 0 0 0 20 48 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 28 30 1 0 0 0 0 28 54 1 0 0 0 0 29 31 2 0 0 0 0 29 55 1 0 0 0 0 30 32 2 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 M END > DBMET01965 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YDAIKJSLITWSBP-JOCHJYFZSA-N/SDF?record_type=3d > C[C@]1(COC2=CC=C(C=C2)N2CCC(CC2)OC2=CC=C(OC(F)(F)F)C=C2)CN=C(N)O1 > InChI=1S/C23H26F3N3O4/c1-22(14-28-21(27)33-22)15-30-17-4-2-16(3-5-17)29-12-10-19(11-13-29)31-18-6-8-20(9-7-18)32-23(24,25)26/h2-9,19H,10-15H2,1H3,(H2,27,28)/t22-/m1/s1 > YDAIKJSLITWSBP-JOCHJYFZSA-N > C23H26F3N3O4 > 465.473 > 465.187540818 > 7 > 59 > 46.02674940012811 > 1 > 1 > 0 > 1 > (5R)-5-methyl-5-[(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine > 4.63 > 4.853675445666667 > -5.09 > 1 > 4 > 1 > 19.233025842048008 > 7.47890509998579 > 78.54 > 111.80900000000001 > 8 > 1 > 3.77e-03 g/l > (5R)-5-methyl-5-(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxymethyl)-4H-1,3-oxazol-2-amine > 0 $$$$